| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:55:10 UTC |
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| Update Date | 2025-03-21 18:04:29 UTC |
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| HMDB ID | HMDB0304734 |
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| Metabolite Identification |
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| DeepMet ID | DMID00050883 |
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| Name | Sitostanol-beta |
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| Frequency | 64.3 |
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| Structure | |
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| Chemical Formula | C12H14N2O7 |
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| Molecular Mass | 298.0801 |
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| SMILES | O=C(O)C1=CC(=CC=NC(CO)C(=O)O)CC(C(=O)O)N1 |
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| InChI Key | FPSPMXPRFYBHKR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | serine and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | aldiminesalpha amino acidsamino acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary alcoholspropargyl-type 1,3-dipolar organic compoundstetrahydropyridinestricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidamino acidiminetricarboxylic acid or derivativespropargyl-type 1,3-dipolar organic compoundaldiminebeta-hydroxy acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholorganoheterocyclic compoundalcoholsecondary aliphatic amineazacycletetrahydropyridineorganic 1,3-dipolar compoundhydroxy acidsecondary amineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundserine or derivativesorganooxygen compoundamine |
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